SCHEMBL5012856

SCHEMBL5012856

CSc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1ccc(C)cc1)=NO2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5012765 0.93 LMNA (0.40) KMT2AMEN1LMNAHSD17B10
SCHEMBL16175715 0.92 MAPT (0.40) KMT2AMEN1LMNAHPGDL3MBTL1
SCHEMBL5012968 0.90 CHRM3 (0.39) KMT2ALMNAHSD17B10
SCHEMBL5014388 0.90 KMT2A (0.43) KMT2AMAPT
SCHEMBL5015823 0.89 CHRM3 (0.39) KMT2ALMNAHSD17B10ALDH1A1
SCHEMBL16175752 0.88 KMT2A (0.42) KMT2AMEN1
SCHEMBL5012967 0.88 KMT2A (0.42) KMT2AMEN1LMNAHSD17B10ALDH1A1
SCHEMBL5012923 0.88 KMT2A (0.46) KMT2AL3MBTL1
SCHEMBL5065032 0.87 KMT2A (0.43) KMT2AMEN1
SCHEMBL5012814 0.87 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed